C891-1807 Screening compound: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-1807 Screening compound: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-1807 Screening compound: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-1807
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C891-1807

Molecular Formula

C24H29FN4O2 (C24 H29 FN4 O2)

Compound Name

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

2-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-6-[(2-fluorophenyl)methyl]-57-dimethyl-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

CC(CC(C)C1)CN1C(CN1N=Cc2c(C)n(Cc(cccc3)c3F)c(C)c2C1=O)=O

InChI

InChI=1S/C24H29FN4O2/c1-15-9-16(2)12-27(11-15)22(30)14-29-24(31)23-18(4)28(17(3)20(23)10-26-29)13-19-7-5-6-8-21(19)25/h5-8,10,15-16H,9,11-14H2,1-4H3

InChI Key

FNNZGTXGEKGLRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14806857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.345

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.56

Polar Surface Area

46.187

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C891-1807 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C891-1807 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C891-1807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-1807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-1807
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C891-1807 available by request